SCHEMBL5452603

SCHEMBL5452603

CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCC(CCOc4ccccc4)CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
CNR1 P21554 3/20 0.40
PTPN7 P35236 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
FSCN1 Q16658 1/20 0.38
HTR7 P34969 1/20 0.38
CCR3 P51677 1/20 0.37
POLB P06746 1/20 0.37
HTR4 Q13639 2/20 0.37
APEX1 P27695 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
MAOB P27338 2/20 0.36
UTS2R Q9UKP6 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5446497 0.93 CNR2 (0.45) CNR2CNR1PTPN7CCR3POLB
SCHEMBL5462928 0.92 CNR2 (0.44) CNR2CNR1PTPN7FSCN1APEX1
SCHEMBL5446369 0.92 PTPN7 (0.44) CNR2CNR1PTPN7FSCN1APEX1
SCHEMBL5463119 0.91 PTPN7 (0.42) CNR2PTPN7BCHEACHEHTR7
SCHEMBL5451293 0.90 CNR2 (0.42) CNR2CNR1PTPN7FSCN1APEX1
SCHEMBL14411415 0.90 PTPN7 (0.42) CNR2CNR1PTPN7FSCN1POLB
SCHEMBL5448003 0.89 CNR1 (0.43) CNR2CNR1PTPN7BCHEACHE
SCHEMBL5440849 0.87 CNR2 (0.40) CNR2CNR1PTPN7FSCN1APEX1
SCHEMBL5459780 0.85 CNR2 (0.46) CNR2CNR1FSCN1APEX1
SCHEMBL5482427 0.85 MET (0.41) CNR2CNR1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR CNR2 106/4885CNR1 65/4885PTPN7 592/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.